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[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(1,3-benzodioxol-5-yl)-6-[5-(4-methoxyphenyl)-3-isoxazolyl]-
SpectraBase Compound ID 2ToMB9uSCsZ
InChI InChI=1S/C20H13N5O4S/c1-26-13-5-2-11(3-6-13)16-9-14(24-29-16)19-23-25-18(21-22-20(25)30-19)12-4-7-15-17(8-12)28-10-27-15/h2-9H,10H2,1H3
InChIKey ZJGQMJPOUAKDAP-UHFFFAOYSA-N
Mol Weight 419.42 g/mol
Molecular Formula C20H13N5O4S
Exact Mass 419.068825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZDDsO8p3e9
Name [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(1,3-benzodioxol-5-yl)-6-[5-(4-methoxyphenyl)-3-isoxazolyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H13N5O4S/c1-26-13-5-2-11(3-6-13)16-9-14(24-29-16)19-23-25-18(21-22-20(25)30-19)12-4-7-15-17(8-12)28-10-27-15/h2-9H,10H2,1H3
InChIKey ZJGQMJPOUAKDAP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5831
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/18217306; Labnumber: OBK-8314